Compile Data Set for Download or QSAR

Found 21 hits of Enzyme Inhibition Constant Data   

TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198939((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 3.5nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50190516((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)copy SMILEScopy InChI
Affinity DataIC50: 6.10nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50190520((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)copy SMILEScopy InChI
Affinity DataIC50: 8.30nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198940((3S)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198935((R)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198941(1-butyl-3-(2-hydroxy-2-methyl-propyl)-9-(4-phenoxy...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50190516((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198937((3R)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)copy SMILEScopy InChI
Affinity DataIC50: 29nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198939((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 53nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198942((S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 53nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198938((S)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 68nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198941(1-butyl-3-(2-hydroxy-2-methyl-propyl)-9-(4-phenoxy...)copy SMILEScopy InChI
Affinity DataIC50: 79nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198940((3S)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)copy SMILEScopy InChI
Affinity DataIC50: 84nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50190520((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)copy SMILEScopy InChI
Affinity DataIC50: 94nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198937((3R)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)copy SMILEScopy InChI
Affinity DataIC50: 130nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198942((S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198935((R)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 210nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50198938((S)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50190516((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)copy SMILEScopy InChI
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8GCMPubMed
* indicates data uncertainty>20%